Chemical ID: 4857126

CC(C)c1ccc(cc1)C=NNc2c3c4c(sc3ncn2)CCCC4
Chemical ID:
4857126
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C=NNc2c3c4c(sc3ncn2)CCCC4
InChi [?]:
InChI=1/C20H22N4S/c1-13(2)15-9-7-14(8-10-15)11-23-24-19-18-16-5-3-4-6-17(16)25-20(18)22-12-21-19/h7-13H,3-6H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,24,23,25,22,6,8,5,9,10,20,2,7,4,15,16,14,13,18,21,19,11,12,17/E:(1,2)(7,8)(9,10)/rA:25nCCCCCCCCCCNNCCCCSCNCNCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;s14;d15;s16;d14s17;s18;d19;d13s20;s16;s22;s23;s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4836
Area:551.148
Solvation:-2.29514
Coulombic:-22.557
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:350.482
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.42
LogP (Chemaxon):5.87

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Descriptor Annotations

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